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124499-21-4 | Acetic acid, 2-[4-(cyanomethyl)phenoxy]-, 1,1-dimethylethyl ester
CAS No: 124499-21-4 Catalog No: AG000M42 MDL No:MFCD22375028
Product Description
Catalog Number:
AG000M42
Chemical Name:
Acetic acid, 2-[4-(cyanomethyl)phenoxy]-, 1,1-dimethylethyl ester
CAS Number:
124499-21-4
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD22375028
IUPAC Name:
tert-butyl 2-[4-(cyanomethyl)phenoxy]acetate
InChI:
InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)10-17-12-6-4-11(5-7-12)8-9-15/h4-7H,8,10H2,1-3H3
InChI Key:
AJEWOLARWFGZSH-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OCC(=O)OC(C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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